(2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

C19H30N4O2 — CID 97243984

IUPAC(2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCOCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[C@@H]3CCCC[C@@H]3C1)CC2
InChIInChI=1S/C19H30N4O2/c1-25-12-17-21-18-9-8-16(11-23(18)22-17)20-19(24)15-7-6-13-4-2-3-5-14(13)10-15/h13-16H,2-12H2,1H3,(H,20,24)/t13-,14+,15+,16+/m0/s1
InChIKeyFITDOMNVWMSABV-ZJIFWQFVSA-N
MW346.48 g/mol
LogP2.46
Rot. Bonds4

About (2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

(2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 97243984) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is (2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name(2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID97243984
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name(2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCOCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[C@@H]3CCCC[C@@H]3C1)CC2
InChIInChI=1S/C19H30N4O2/c1-25-12-17-21-18-9-8-16(11-23(18)22-17)20-19(24)15-7-6-13-4-2-3-5-14(13)10-15/h13-16H,2-12H2,1H3,(H,20,24)/t13-,14+,15+,16+/m0/s1
InChIKeyFITDOMNVWMSABV-ZJIFWQFVSA-N
XLogP2.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of (2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 97243984) is (2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for (2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for (2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is COCc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[C@@H]3CCCC[C@@H]3C1)CC2.
What is the InChIKey of (2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is FITDOMNVWMSABV-ZJIFWQFVSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-25-12-17-21-18-9-8-16(11-23(18)22-17)20-19(24)15-7-6-13-4-2-3-5-14(13)10-15/h13-16H,2-12H2,1H3,(H,20,24)/t13-,14+,15+,16+/m0/s1.
What are the key properties of (2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
(2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 97243984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).